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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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1211 3994 1 N3O3C16H25 A3B3C16D25 -95.17 2.82 -8.42 0.0 0
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1212 3996 1 O6C23H24 A6B23C24 -194.73 5.84 -8.68 -1.5 0
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1213 3997 1 O6C23H24 A6B23C24 -186.05 5.04 -8.35 -1.5 0
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1214 3998 1 SN2O2C7H10 AB2C2D7E10 -52.32 5.83 -9.91 -0.59 0
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1215 3999 1 NO4C20H24 AB4C20D24 -91.61 7.46 0.0 0.0 1
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1216 4004 1 PS2O6C10H19 AB2C6D10E19 -356.36 3.01 -9.71 -1.01 0
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1217 4005 1 S2N5O5C23H39 A2B5C5D23E39 -252.54 10.37 -9.32 -1.41 0
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1218 4006 2 SO2C6H8 AB2C6D8 -166.31 2.29 -8.76 -0.99 0
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1219 4007 1 O11C13H24 A11B13C24 -502.86 3.62 -10.34 0.68 0
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1220 4008 1 N4O6C35H38 A4B6C35D38 -97.18 7.82 -8.26 -1.04 0
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1221 4009 1 O5C25H36 A5B25C36 -223.49 5.24 -8.92 -1.06 0
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1222 4010 1 N2O7C31H38 A2B7C31D38 -166.86 5.75 -8.73 -1.21 0
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1223 4012 1 N2O17C37H46 A2B17C37D46 -695.77 5.71 -9.25 -0.22 0
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1224 4013 1 NO13C33H39 AB13C33D39 -530.09 7.26 -9.06 -2.03 0
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1225 4014 1 N2O3H14C15 A2B3C14D15 -29.2 6.22 -9.33 -1.01 0
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1226 4015 1 N3O3C16H17 A3B3C16D17 -20.33 8.52 -8.49 -0.94 0
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1227 4017 1 O15N18C66H122 A15B18C66D122 -841.66 12.68 -9.59 -0.36 0
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1228 4018 2 O2C13H21 A2B13C21 -215.78 3.64 -8.74 0.2 0
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1229 4019 1 NS2O3C21H27 AB2C3D21E27 -95.3 3.88 -8.62 -0.34 0
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1230 4020 1 ClON2H13C16 ABC2D13E16 30.52 1.96 -9.38 -0.77 0
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1231 4021 1 ON2C10H10 AB2C10D10 10.59 3.55 -8.66 -0.03 0
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1232 4022 1 ClN2O2C14H18 AB2C2D14E18 -2.8 5.25 0.0 0.0 1
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1233 4023 1 NCl2O4H11C18 AB2C4D11E18 -110.13 5.14 -9.48 -1.54 0
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1234 4024 1 N2C23H36 A2B23C36 -15.43 3.05 -8.77 0.29 0
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1235 4026 2 NC6H10 AB6C10 77.07 1.0 -8.87 1.01 0
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1236 4027 1 N3O6C19H31 A3B6C19D31 -254.3 4.73 -9.67 -0.23 0
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1237 4028 2 OC10H17 AB10C17 -109.95 5.39 -9.65 0.7 0
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1238 4030 1 N3O3H13C16 A3B3C13D16 -40.4 3.27 -9.13 -0.94 0
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1239 4032 1 NC11H21 AB11C21 -18.11 1.61 -8.69 3.1 0
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1240 4033 1 NCl2C5H11 AB2C5D11 -29.6 2.06 -9.42 0.54 0
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1241 4034 1 ClN2C25H27 AB2C25D27 62.81 3.37 -8.8 0.01 0
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1242 4035 1 ClN2O8H21C22 AB2C8D21E22 -279.2 4.26 -9.15 -1.22 0
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1243 4036 1 NCl2O2H10C14 AB2C2D10E14 -32.85 8.28 0.0 0.0 -1
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1244 4037 1 NCl2O2H11C14 AB2C2D11E14 -60.5 6.66 -9.08 -0.88 0
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1245 4038 1 NNaCl2O2H10C14 ABC2D2E10F14 -120.38 6.48 -8.75 -0.63 0
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1246 4039 1 ClNO3C12H16 ABC3D12E16 -105.62 3.11 -8.78 -0.12 0
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1247 4040 1 NSO2C4H9 ABC2D4E9 -88.08 1.42 -9.5 -0.08 0
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1248 4041 1 ClN2H15C16 AB2C15D16 65.01 3.45 -8.51 -0.4 0
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1249 4042 2 O2C12H17 A2B12C17 -207.74 3.62 -9.85 -0.11 0
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1250 4043 1 O3C22H32 A3B22C32 -104.51 5.34 -9.84 -0.13 0
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1251 4044 1 NO2C15H15 AB2C15D15 -58.82 4.41 -8.49 -0.52 0
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1252 4045 1 N2O3C15H24 A2B3C15D24 -110.57 1.5 -8.58 -0.12 0
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1253 4047 1 ClN2S2O5C13H19 AB2C2D5E13F19 -185.51 3.67 -9.34 -1.36 0
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1254 4049 1 NO5C7H17 AB5C7D17 -239.74 4.26 -9.67 1.53 0
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1255 4052 1 S2N3O4H13C14 A2B3C4D13E14 -81.35 7.28 -8.93 -1.33 0
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1256 4053 1 Cl2N2O2C13H18 A2B2C2D13E18 -94.52 3.26 -8.85 -0.34 0
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1257 4054 1 NC12H21 AB12C21 -48.41 1.82 -9.17 3.44 0
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1258 4055 1 O2H8C11 A2B8C11 -29.81 1.34 -10.33 -1.75 0
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1259 4056 1 O2C31H40 A2B31C40 -50.26 4.01 -8.92 -1.44 0
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1260 4058 1 NO2C15H21 AB2C15D21 -79.85 2.27 -8.76 0.12 0